SCHEMBL28587100

SCHEMBL28587100

NC(=O)c1cccnc1-c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 3/20 0.40
ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3620548 0.81 GRM5 (0.51) PARP1KDM4ETDP1TSHRALDH1A1
SCHEMBL4186883 0.80 KDM4E (0.65) PARP1KDM4ETDP1TSHRALDH1A1
SCHEMBL3646683 0.80 ADORA3 (0.47) SIRT3SIRT2F7F3SARM1
SCHEMBL29455925 0.80 GRM5 (0.50) PARP1KDM4ETDP1TSHRALDH1A1
SCHEMBL31227852 0.79 BCAT2 (0.53) SIRT3SIRT2F7F3SARM1
SCHEMBL45147 0.79 BCAT2 (0.53) SIRT3SIRT2F7F3SARM1
SCHEMBL1571384 0.79 MKNK1 (0.55) SIRT3SIRT2F7F3SARM1
SCHEMBL30521876 0.79 BCAT2 (0.53) SIRT3SIRT2F7F3SARM1
SCHEMBL29575496 0.79 MKNK1 (0.55) SIRT3SIRT2F7F3SARM1
SCHEMBL4186880 0.77 TDP1 (0.53) SIRT3SIRT2F7F3SARM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025092884-A1 METHOD FOR TREATING LEUKEMIA 深圳市塔吉瑞生物医药有限公司 2025-05-08 WO disclosed
CN-109651359-B Substituted nicotinamide compound, pharmaceutical composition and application thereof 深圳市塔吉瑞生物医药有限公司 2021-06-22 CN disclosed